4-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethoxy]phenyl]benzonitrile Formula: C25H22ClN3O2 MolecularWeight: 431.91408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22ClN3O2/c26-22-2-1-3-23(16-22)28-12-14-29(15-13-28)25(30)18-31-24-10-8-21(9-11-24)20-6-4-19(17-27)5-7-20/h1-11,16H,12-15,18H2